2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide

C23H33N3O3 — CID 51139022

IUPAC2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)NC3CCCCCC3)C2=O)cc1
InChIInChI=1S/C23H33N3O3/c1-22(2,3)16-11-13-17(14-12-16)23(4)20(28)26(21(29)25-23)15-19(27)24-18-9-7-5-6-8-10-18/h11-14,18H,5-10,15H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyPQWFNQAZRKSLBA-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.59
Rot. Bonds4

About 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide

2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide (PubChem CID 51139022) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide
PubChem CID51139022
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)NC3CCCCCC3)C2=O)cc1
InChIInChI=1S/C23H33N3O3/c1-22(2,3)16-11-13-17(14-12-16)23(4)20(28)26(21(29)25-23)15-19(27)24-18-9-7-5-6-8-10-18/h11-14,18H,5-10,15H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyPQWFNQAZRKSLBA-UHFFFAOYSA-N
XLogP3.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250040
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2705918
N-cyclopentyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582043
N-cyclohexyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580985
N-cyclopentyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580741
2-[(4R)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 29156541
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 26716014
N-cyclopentyl-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2584997
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 40931197
N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7484104
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 2081705

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide (CID 51139022) is 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide is CC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)NC3CCCCCC3)C2=O)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide?
The InChIKey is PQWFNQAZRKSLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-22(2,3)16-11-13-17(14-12-16)23(4)20(28)26(21(29)25-23)15-19(27)24-18-9-7-5-6-8-10-18/h11-14,18H,5-10,15H2,1-4H3,(H,24,27)(H,25,29).
What are the key properties of 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide?
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide has a molecular weight of 399.54 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide is sourced from PubChem (CID 51139022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).